2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

C16H13F4N5O — CID 135372018

IUPAC2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2cccc(F)c2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H13F4N5O/c17-13-3-1-2-12(15-22-24-25(23-15)8-9-26)14(13)21-11-6-4-10(5-7-11)16(18,19)20/h1-7,21,26H,8-9H2
InChIKeyVEHFKWKDTCMOKP-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.23
Rot. Bonds5

About 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (PubChem CID 135372018) has the molecular formula C16H13F4N5O and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
PubChem CID135372018
Molecular FormulaC16H13F4N5O
Molecular Weight367.31 g/mol
Exact Mass367.11
IUPAC Name2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2cccc(F)c2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H13F4N5O/c17-13-3-1-2-12(15-22-24-25(23-15)8-9-26)14(13)21-11-6-4-10(5-7-11)16(18,19)20/h1-7,21,26H,8-9H2
InChIKeyVEHFKWKDTCMOKP-UHFFFAOYSA-N
XLogP3.23
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-{[3-chloro-4-(trifluoromethyl)phenyl]amino}phenyl)-2H-1,2,3,4-tetrazol-2-yl]ethan-1-ol
CID 135372750
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxan-3-ol
CID 135371571
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexanol
CID 135371580
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-(5-(2-((3-fluorophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethanol
CID 135371774
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787
2-[5-[5-Chloro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372012

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (CID 135372018) is 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2cccc(F)c2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is VEHFKWKDTCMOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N5O/c17-13-3-1-2-12(15-22-24-25(23-15)8-9-26)14(13)21-11-6-4-10(5-7-11)16(18,19)20/h1-7,21,26H,8-9H2.
What are the key properties of 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 367.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135372018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).